CID 111464

68938-75-0

Structural Information

Molecular Formula
C21H46N2O3
SMILES
CCCC(CC)COCC(CN(CC)CC)OCC(CN(CC)CC)O
InChI
InChI=1S/C21H46N2O3/c1-7-13-19(8-2)16-25-18-21(15-23(11-5)12-6)26-17-20(24)14-22(9-3)10-4/h19-21,24H,7-18H2,1-6H3
InChIKey
FCYFZZUXLXEBHG-UHFFFAOYSA-N
Compound name
1-(diethylamino)-3-[1-(diethylamino)-3-(2-ethylpentoxy)propan-2-yl]oxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

374.35083 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.358106 206.7
[M+Na]+ 397.340048 205.1
[M-H]- 373.343554 205.7
[M+NH4]+ 392.384653 226.7
[M+K]+ 413.313988 206.0
[M+H-H2O]+ 357.348090 198.2
[M+HCOO]- 419.349031 221.0
[M+CH3COO]- 433.364681 234.3
[M+Na-2H]- 395.325496 200.5
[M]+ 374.35028142 215.0
[M]- 374.35137858 215.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.